N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide

C14H27NO2 — CID 20790201

IUPACN-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide
SMILESC=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,15,16)
InChIKeyLRQYHPJOCPUJMC-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.91
Rot. Bonds5

About N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide

N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide (PubChem CID 20790201) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide
PubChem CID20790201
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide
SMILESC=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,15,16)
InChIKeyLRQYHPJOCPUJMC-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide?
The IUPAC name of N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide (CID 20790201) is N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide.
What is the SMILES notation for N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide?
The canonical SMILES for N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide is C=CCOC(CC(C)(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide?
The InChIKey is LRQYHPJOCPUJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h8,11H,1,9-10H2,2-7H3,(H,15,16).
What are the key properties of N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide?
N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide has a molecular weight of 241.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-dimethyl-2-prop-2-enoxypentanamide is sourced from PubChem (CID 20790201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).